Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pw8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 5.A N ILE 1.A O no hydrogen 2.665 N/A LEU 6.A N TYR 2.A O no hydrogen 3.001 N/A HIS 7.A N ASN 4.A O no hydrogen 3.234 N/A HIS 7.A ND1 GLU 9.A OE2 no hydrogen 2.752 N/A LEU 8.A N GLY 3.A O no hydrogen 3.008 N/A GLU 9.A N GLU 9.A OE1 no hydrogen 2.930 N/A LYS 10.A N HIS 7.A O no hydrogen 2.836 N/A VAL 11.A N HIS 7.A O no hydrogen 3.176 N/A LEU 12.A N LEU 8.A O no hydrogen 2.916 N/A ASN 13.A N LYS 10.A O no hydrogen 3.106 N/A ASN 13.A ND2 GLU 9.A O no hydrogen 2.736 N/A ALA 14.A N GLN 15.A OE1 no hydrogen 3.270 N/A GLN 15.A NE2 VAL 11.A O no hydrogen 2.732 N/A GLN 15.A NE2 GLN 37.A OE1 no hydrogen 2.951 N/A GLN 18.A N GLU 29.A OE2 no hydrogen 2.720 N/A SER 19.A N GLU 29.A OE1 no hydrogen 3.097 N/A SER 19.A OG GLU 29.A OE1 no hydrogen 2.705 N/A THR 21.A N LEU 17.A O no hydrogen 2.984 N/A THR 21.A OG1 GLU 16.A OE2 no hydrogen 3.139 N/A THR 21.A OG1 LEU 17.A O no hydrogen 3.139 N/A LYS 22.A N GLN 18.A O no hydrogen 2.701 N/A GLY 23.A N GLU 20.A O no hydrogen 2.973 N/A ASN 24.A N SER 19.A O no hydrogen 2.670 N/A ASN 24.A ND2 TYR 106.A OH no hydrogen 3.557 N/A LYS 25.A NZ GLU 20.A OE1 no hydrogen 3.543 N/A LYS 25.A NZ GLU 20.A OE2 no hydrogen 3.537 N/A ILE 26.A N SER 19.A OG no hydrogen 2.852 N/A GLU 29.A N ILE 26.A O no hydrogen 3.121 N/A PHE 32.A N ASP 28.A O no hydrogen 3.051 N/A ILE 33.A N GLU 29.A O no hydrogen 2.904 N/A ILE 34.A N HIS 30.A O no hydrogen 2.909 N/A THR 35.A N LEU 31.A O no hydrogen 2.959 N/A THR 35.A OG1 LEU 31.A O no hydrogen 2.810 N/A HIS 36.A ND1 PHE 32.A O no hydrogen 2.876 N/A GLN 37.A N ILE 33.A O no hydrogen 2.959 N/A GLN 37.A NE2 ALA 14.A O no hydrogen 2.825 N/A ALA 38.A N ILE 34.A O no hydrogen 2.912 N/A TYR 39.A N THR 35.A O no hydrogen 2.918 N/A GLU 40.A N HIS 36.A O no hydrogen 3.011 N/A LEU 41.A N GLN 37.A O no hydrogen 2.969 N/A TRP 42.A N ALA 38.A O no hydrogen 3.037 N/A PHE 43.A N TYR 39.A O no hydrogen 2.818 N/A LYS 44.A N GLU 40.A O no hydrogen 2.838 N/A GLN 45.A N LEU 41.A O no hydrogen 2.959 N/A GLN 45.A NE2 GLU 49.A OE2 no hydrogen 2.695 N/A ILE 46.A N TRP 42.A O no hydrogen 2.846 N/A LEU 47.A N PHE 43.A O no hydrogen 2.858 N/A TRP 48.A N LYS 44.A O no hydrogen 2.894 N/A GLU 49.A N GLN 45.A O no hydrogen 2.933 N/A LEU 50.A N ILE 46.A O no hydrogen 2.800 N/A ASP 51.A N LEU 47.A O no hydrogen 2.866 N/A SER 52.A N TRP 48.A O no hydrogen 3.070 N/A SER 52.A OG GLU 49.A O no hydrogen 3.014 N/A VAL 53.A N GLU 49.A O no hydrogen 2.987 N/A ARG 54.A N LEU 50.A O no hydrogen 2.876 N/A ARG 54.A NE LYS 142.A O no hydrogen 2.967 N/A ARG 54.A NH2 GLU 141.A OE1 no hydrogen 3.470 N/A ARG 54.A NH2 LYS 142.A O no hydrogen 2.849 N/A GLU 55.A N ASP 51.A O no hydrogen 2.927 N/A ILE 56.A N SER 52.A O no hydrogen 2.988 N/A PHE 57.A N VAL 53.A O no hydrogen 2.964 N/A GLN 58.A N ARG 54.A O no hydrogen 2.888 N/A ASN 59.A N GLU 55.A O no hydrogen 3.143 N/A GLY 60.A N PHE 57.A O no hydrogen 2.995 N/A ASN 67.A ND2 HIS 61.A O no hydrogen 2.782 N/A MET 68.A N ASP 64.A O no hydrogen 3.046 N/A LEU 69.A N GLU 65.A O no hydrogen 2.919 N/A LYS 70.A N ARG 66.A O no hydrogen 2.884 N/A VAL 71.A N ASN 67.A O no hydrogen 2.939 N/A VAL 72.A N MET 68.A O no hydrogen 2.910 N/A SER 73.A N LEU 69.A O no hydrogen 2.889 N/A SER 73.A OG LYS 70.A O no hydrogen 3.299 N/A ARG 74.A N LYS 70.A O no hydrogen 2.957 N/A ARG 74.A NH1 SER 52.A OG no hydrogen 2.426 N/A MET 75.A N VAL 71.A O no hydrogen 2.914 N/A HIS 76.A N VAL 72.A O no hydrogen 2.884 N/A ARG 77.A N SER 73.A O no hydrogen 2.901 N/A ARG 77.A NH1 GLU 49.A OE2 no hydrogen 2.674 N/A VAL 78.A N ARG 74.A O no hydrogen 2.933 N/A SER 79.A N MET 75.A O no hydrogen 2.989 N/A VAL 80.A N HIS 76.A O no hydrogen 2.934 N/A ILE 81.A N ARG 77.A O no hydrogen 2.888 N/A LEU 82.A N VAL 78.A O no hydrogen 2.895 N/A LYS 83.A N SER 79.A O no hydrogen 2.905 N/A LEU 84.A N VAL 80.A O no hydrogen 2.979 N/A LEU 85.A N ILE 81.A O no hydrogen 2.886 N/A VAL 86.A N LEU 82.A O no hydrogen 2.940 N/A GLN 87.A N LYS 83.A O no hydrogen 2.944 N/A GLN 88.A N LEU 84.A O no hydrogen 2.909 N/A PHE 89.A N VAL 86.A O no hydrogen 3.187 N/A SER 90.A N GLN 87.A O no hydrogen 3.113 N/A SER 90.A OG GLN 87.A O no hydrogen 2.860 N/A ILE 91.A N GLN 88.A O no hydrogen 3.094 N/A GLU 93.A N PHE 89.A O no hydrogen 3.176 N/A THR 94.A N ILE 91.A O no hydrogen 2.869 N/A THR 94.A OG1 ILE 91.A O no hydrogen 2.462 N/A MET 95.A N LEU 92.A O no hydrogen 3.335 N/A PHE 100.A N THR 96.A O no hydrogen 3.358 N/A ASN 101.A N ALA 97.A O no hydrogen 3.167 N/A ASP 102.A N LEU 98.A O no hydrogen 3.011 N/A PHE 103.A N PHE 100.A O no hydrogen 3.006 N/A ARG 104.A NH2 ASN 101.A OD1 no hydrogen 3.005 N/A TYR 106.A N PHE 103.A O no hydrogen 3.134 N/A SER 108.A N ARG 104.A O no hydrogen 3.032 N/A GLY 112.A N PRO 109.A O no hydrogen 2.842 N/A PHE 113.A N ALA 110.A O no hydrogen 2.370 N/A GLN 114.A N GLY 112.A O no hydrogen 3.058 N/A SER 115.A OG GLU 40.A OE1 no hydrogen 3.225 N/A SER 115.A OG GLU 40.A OE2 no hydrogen 2.614 N/A GLN 117.A NE2 GLU 40.A O no hydrogen 3.026 N/A GLN 117.A NE2 GLU 40.A OE1 no hydrogen 2.471 N/A PHE 118.A N SER 115.A OG no hydrogen 2.984 N/A ARG 119.A N SER 115.A O no hydrogen 3.391 N/A LEU 120.A N LEU 116.A O no hydrogen 2.933 N/A LEU 121.A N GLN 117.A O no hydrogen 2.876 N/A GLU 122.A N PHE 118.A O no hydrogen 2.984 N/A ASN 123.A N ARG 119.A O no hydrogen 2.664 N/A ASN 123.A ND2 SER 138.A OG no hydrogen 2.607 N/A LYS 124.A N LEU 120.A O no hydrogen 2.925 N/A LYS 124.A NZ ASP 51.A OD1 no hydrogen 2.398 N/A LYS 124.A NZ ASP 51.A OD2 no hydrogen 2.699 N/A ILE 125.A N GLU 122.A O no hydrogen 3.335 N/A VAL 127.A N GLU 122.A O no hydrogen 2.704 N/A LEU 135.A N GLU 131.A O no hydrogen 2.879 N/A LEU 136.A N ASN 132.A O no hydrogen 2.901 N/A LYS 137.A N GLU 133.A O no hydrogen 2.861 N/A SER 138.A N LEU 134.A O no hydrogen 3.009 N/A SER 138.A OG LEU 135.A O no hydrogen 2.657 N/A GLU 139.A N LEU 135.A O no hydrogen 2.954 N/A GLN 140.A N LEU 136.A O no hydrogen 2.870 N/A GLN 140.A N LYS 137.A O no hydrogen 3.033 N/A GLN 140.A NE2 LEU 136.A O no hydrogen 3.410 N/A GLU 141.A N LYS 137.A O no hydrogen 2.880 N/A THR 143.A N GLU 146.A OE1 no hydrogen 3.104 N/A LEU 144.A N LYS 124.A O no hydrogen 2.821 N/A LEU 145.A N ILE 125.A O no hydrogen 2.773 N/A GLU 146.A N THR 143.A OG1 no hydrogen 2.982 N/A LEU 147.A N THR 143.A O no hydrogen 3.118 N/A VAL 148.A N LEU 144.A O no hydrogen 2.897 N/A GLU 149.A N LEU 145.A O no hydrogen 2.846 N/A ALA 150.A N GLU 146.A O no hydrogen 2.901 N/A TRP 151.A N LEU 147.A O no hydrogen 2.969 N/A LEU 152.A N VAL 148.A O no hydrogen 2.874 N/A GLU 153.A N GLU 149.A O no hydrogen 2.830 N/A ARG 154.A N TRP 151.A O no hydrogen 3.021 N/A THR 155.A N LEU 152.A O no hydrogen 3.174 N/A THR 155.A OG1 LEU 152.A O no hydrogen 2.977 N/A GLY 157.A N GLU 159.A OE1 no hydrogen 2.670 N/A GLU 159.A N GLU 159.A OE1 no hydrogen 2.714 N/A GLY 162.A N GLU 159.A O no hydrogen 2.914 N/A ASN 164.A N GLU 159.A O no hydrogen 2.969 N/A PHE 165.A N GLY 157.A O no hydrogen 3.026 N/A TRP 166.A NE1 TYR 229.A OH no hydrogen 2.993 N/A LYS 168.A N ASN 164.A O no hydrogen 3.035 N/A LYS 168.A NZ ASN 306.A OD1 no hydrogen 3.557 N/A LEU 169.A N PHE 165.A O no hydrogen 2.928 N/A GLU 170.A N TRP 166.A O no hydrogen 3.010 N/A LYS 171.A N GLY 167.A O no hydrogen 3.142 N/A ASN 172.A N LYS 168.A O no hydrogen 2.847 N/A ASN 172.A ND2 TRP 301.A O no hydrogen 3.357 N/A ILE 173.A N LEU 169.A O no hydrogen 2.977 N/A THR 174.A N GLU 170.A O no hydrogen 2.861 N/A THR 174.A OG1 GLU 170.A O no hydrogen 2.887 N/A ARG 175.A N LYS 171.A O no hydrogen 3.048 N/A GLY 176.A N ASN 172.A O no hydrogen 3.054 N/A LEU 177.A N ILE 173.A O no hydrogen 2.873 N/A GLU 178.A N THR 174.A O no hydrogen 2.985 N/A GLU 179.A N ARG 175.A O no hydrogen 2.966 N/A GLU 180.A N GLY 176.A O no hydrogen 2.923 N/A PHE 181.A N LEU 177.A O no hydrogen 2.890 N/A ILE 182.A N GLU 178.A O no hydrogen 2.997 N/A ARG 183.A N GLU 179.A O no hydrogen 2.947 N/A ARG 183.A NE GLU 180.A OE2 no hydrogen 2.866 N/A ARG 183.A NH1 GLN 196.A OE1 no hydrogen 3.025 N/A ARG 183.A NH2 GLU 180.A OE2 no hydrogen 2.430 N/A ARG 183.A NH2 GLN 196.A OE1 no hydrogen 3.152 N/A ILE 184.A N GLU 180.A O no hydrogen 3.007 N/A ILE 184.A N PHE 181.A O no hydrogen 3.173 N/A GLN 185.A N PHE 181.A O no hydrogen 2.912 N/A LYS 187.A N ILE 184.A O no hydrogen 3.157 N/A GLU 192.A N SER 190.A OG no hydrogen 2.903 N/A LYS 193.A NZ GLN 185.A O no hydrogen 3.538 N/A LYS 193.A NZ LYS 187.A O no hydrogen 2.889 N/A LYS 193.A NZ GLU 189.A OE2 no hydrogen 2.660 N/A GLU 195.A N GLU 191.A O no hydrogen 3.415 N/A GLN 196.A N GLU 192.A O no hydrogen 3.252 N/A VAL 197.A N LYS 193.A O no hydrogen 3.130 N/A ALA 198.A N GLU 194.A O no hydrogen 3.221 N/A GLU 199.A N GLU 195.A O no hydrogen 2.944 N/A PHE 200.A N GLN 196.A O no hydrogen 2.896 N/A GLN 201.A N VAL 197.A O no hydrogen 2.921 N/A LYS 202.A N ALA 198.A O no hydrogen 3.034 N/A GLN 203.A N GLU 199.A O no hydrogen 2.906 N/A LYS 204.A N PHE 200.A O no hydrogen 2.706 N/A GLU 205.A N GLN 201.A O no hydrogen 3.244 N/A VAL 206.A N LYS 202.A O no hydrogen 2.924 N/A LEU 207.A N GLN 203.A O no hydrogen 3.054 N/A LEU 208.A N LYS 204.A O no hydrogen 3.023 N/A SER 209.A N GLU 205.A O no hydrogen 2.882 N/A SER 209.A OG GLU 205.A O no hydrogen 3.312 N/A SER 209.A OG VAL 206.A O no hydrogen 2.676 N/A LEU 210.A N VAL 206.A O no hydrogen 3.213 N/A LEU 210.A N LEU 207.A O no hydrogen 3.192 N/A PHE 211.A N LEU 208.A O no hydrogen 2.903 N/A ASP 212.A N SER 209.A O no hydrogen 2.920 N/A ARG 215.A N ASP 212.A OD2 no hydrogen 2.932 N/A HIS 216.A N ASP 212.A O no hydrogen 3.206 N/A HIS 216.A NE2 LEU 227.A O no hydrogen 2.692 N/A GLU 217.A N GLU 213.A O no hydrogen 2.845 N/A HIS 218.A N LYS 214.A O no hydrogen 2.807 N/A LEU 219.A N ARG 215.A O no hydrogen 2.893 N/A LEU 220.A N HIS 216.A O no hydrogen 2.929 N/A SER 221.A N GLU 217.A O no hydrogen 3.047 N/A SER 221.A OG HIS 218.A O no hydrogen 2.341 N/A LYS 222.A N HIS 218.A O no hydrogen 3.131 N/A LYS 222.A NZ GLU 224.A OE2 no hydrogen 3.557 N/A GLY 223.A N LEU 220.A O no hydrogen 2.911 N/A GLU 224.A N LEU 219.A O no hydrogen 2.897 N/A ARG 225.A NH1 HIS 216.A ND1 no hydrogen 2.884 N/A ARG 226.A N ASP 288.A OD2 no hydrogen 2.875 N/A ARG 226.A NH2 GLY 126.A O no hydrogen 3.537 N/A LEU 227.A N ASP 288.A OD2 no hydrogen 2.820 N/A SER 228.A N GLU 149.A OE2 no hydrogen 2.760 N/A SER 228.A OG GLU 153.A OE2 no hydrogen 2.260 N/A TYR 229.A OH LEU 210.A O no hydrogen 2.804 N/A ARG 230.A NE GLU 153.A O no hydrogen 3.037 N/A ALA 231.A N SER 228.A OG no hydrogen 2.966 N/A LEU 232.A N SER 228.A O no hydrogen 2.866 N/A GLN 233.A N TYR 229.A O no hydrogen 2.962 N/A GLY 234.A N ARG 230.A O no hydrogen 2.981 N/A ALA 235.A N ALA 231.A O no hydrogen 2.882 N/A LEU 236.A N LEU 232.A O no hydrogen 2.918 N/A MET 237.A N GLN 233.A O no hydrogen 2.888 N/A ILE 238.A N GLY 234.A O no hydrogen 2.964 N/A TYR 239.A N ALA 235.A O no hydrogen 2.830 N/A PHE 240.A N LEU 236.A O no hydrogen 2.896 N/A TYR 241.A N MET 237.A O no hydrogen 3.073 N/A TYR 241.A OH PRO 303.A O no hydrogen 2.454 N/A GLU 244.A N TYR 241.A O no hydrogen 2.943 N/A PHE 247.A N GLU 244.A O no hydrogen 2.816 N/A PHE 251.A N PHE 247.A O no hydrogen 3.014 N/A GLN 252.A N GLN 248.A O no hydrogen 2.996 N/A GLN 252.A NE2 GLN 248.A OE1 no hydrogen 2.759 N/A LEU 253.A N VAL 249.A O no hydrogen 2.934 N/A LEU 254.A N PRO 250.A O no hydrogen 2.998 N/A THR 255.A N PHE 251.A O no hydrogen 2.893 N/A THR 255.A OG1 PHE 251.A O no hydrogen 3.021 N/A SER 256.A N GLN 252.A O no hydrogen 2.938 N/A SER 256.A OG GLN 252.A O no hydrogen 3.455 N/A LEU 257.A N LEU 253.A O no hydrogen 2.915 N/A MET 258.A N LEU 254.A O no hydrogen 2.968 N/A ASP 259.A N THR 255.A O no hydrogen 2.878 N/A ILE 260.A N SER 256.A O no hydrogen 2.887 N/A ASP 261.A N LEU 257.A O no hydrogen 2.973 N/A SER 262.A N MET 258.A O no hydrogen 2.886 N/A SER 262.A OG MET 258.A O no hydrogen 3.181 N/A LEU 263.A N ASP 259.A O no hydrogen 2.800 N/A MET 264.A N ILE 260.A O no hydrogen 2.890 N/A THR 265.A N ASP 261.A O no hydrogen 2.969 N/A THR 265.A OG1 ASP 261.A O no hydrogen 2.925 N/A LYS 266.A N SER 262.A O no hydrogen 2.802 N/A TRP 267.A N LEU 263.A O no hydrogen 2.837 N/A ARG 268.A N MET 264.A O no hydrogen 3.046 N/A ARG 268.A NE GLU 122.A OE2 no hydrogen 2.680 N/A ARG 268.A NH1 GLU 122.A OE2 no hydrogen 2.990 N/A ARG 268.A NH2 THR 265.A OG1 no hydrogen 3.405 N/A TYR 269.A N THR 265.A O no hydrogen 2.980 N/A ASN 270.A N LYS 266.A O no hydrogen 2.898 N/A HIS 271.A N TRP 267.A O no hydrogen 2.961 N/A VAL 272.A N ARG 268.A O no hydrogen 3.381 N/A CYS 273.A N TYR 269.A O no hydrogen 3.202 N/A MET 274.A N ASN 270.A O no hydrogen 3.233 N/A MET 274.A N HIS 271.A O no hydrogen 3.039 N/A VAL 275.A N HIS 271.A O no hydrogen 3.283 N/A HIS 276.A N VAL 272.A O no hydrogen 2.771 N/A ARG 277.A N CYS 273.A O no hydrogen 2.832 N/A ARG 277.A NH2 GLU 93.A O no hydrogen 3.485 N/A MET 278.A N MET 274.A O no hydrogen 2.743 N/A LEU 279.A N HIS 276.A O no hydrogen 3.081 N/A GLY 280.A N HIS 276.A O no hydrogen 2.604 N/A SER 281.A OG LEU 279.A O no hydrogen 3.513 N/A VAL 285.A N ASP 261.A OD1 no hydrogen 3.059 N/A PHE 286.A N ASP 261.A OD2 no hydrogen 2.668 N/A LEU 289.A N PHE 286.A O no hydrogen 2.938 N/A PHE 290.A N PHE 286.A O no hydrogen 3.417 N/A ASN 291.A N VAL 287.A O no hydrogen 2.904 N/A LEU 292.A N LEU 289.A O no hydrogen 3.088 N/A THR 294.A N ASN 291.A O no hydrogen 3.009 N/A THR 294.A OG1 ASN 291.A O no hydrogen 3.150 N/A TYR 295.A N LEU 292.A O no hydrogen 3.060 N/A LEU 296.A N SER 293.A O no hydrogen 3.301 N/A ARG 299.A NH1 GLU 243.A OE2 no hydrogen 3.567 N/A TRP 301.A N PRO 298.A O no hydrogen 2.814 N/A ILE 302.A N ARG 299.A O no hydrogen 3.122 N/A